1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea

C17H17N5OS — CID 10088570

IUPAC1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)19-17(24)21-20-16(23)15-12(2)18-14-5-3-4-10-22(14)15/h3-10H,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyNALOZOLSRCWHDF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.58
Rot. Bonds2

About 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea

1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea (PubChem CID 10088570) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
PubChem CID10088570
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)19-17(24)21-20-16(23)15-12(2)18-14-5-3-4-10-22(14)15/h3-10H,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyNALOZOLSRCWHDF-UHFFFAOYSA-N
XLogP2.58
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122297709
2-methyl-N-[4-(propanoylamino)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 649714
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24644397
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 27699260
N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 24541645
2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
CID 730744
1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methylphenyl)thiourea
CID 2728279
2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541624
2-methyl-N'-(9-oxofluorene-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24619999
N'-(1-benzylpyrazole-4-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541606
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea (CID 10088570) is 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NNC(=O)c2c(C)nc3ccccn23)cc1.
What is the InChIKey of 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea?
The InChIKey is NALOZOLSRCWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)19-17(24)21-20-16(23)15-12(2)18-14-5-3-4-10-22(14)15/h3-10H,1-2H3,(H,20,23)(H2,19,21,24).
What are the key properties of 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea?
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea has a molecular weight of 339.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 10088570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).